SCHEMBL8551958

SCHEMBL8551958

CCc1ccc(C(=O)Nc2ccc3occ(C4CCN(CC)CC4)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.57
HTR2A P28223 10/20 0.57
DRD3 P35462 10/20 0.57
HTR1D P28221 8/20 0.46
HTR1B P28222 5/20 0.44
CHRM2 P08172 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7480216 0.81 HTR1D (0.70) DRD2HTR1DHTR1BCHRM2
SCHEMBL8551530 0.80 DRD2 (0.54) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8551986 0.79 HTR1F (0.68) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8552921 0.79 DRD2 (0.49) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8547100 0.77 DRD2 (0.43) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8548237 0.77 MAPT (0.53) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8552647 0.76 DRD2 (0.46) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8551616 0.76 DRD2 (0.49) DRD2HTR2ADRD3
SCHEMBL8548604 0.75 HTR1F (0.46) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8550183 0.75 EPHX2 (0.48) DRD2HTR2ADRD3HTR1DHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed